(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane

C11H17NS — CID 163393108

IUPAC(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane
SMILESC=C/C=C1/C(C)=CS/C1=N\C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-8-7(2)6-11-9(8)10-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b8-5-,10-9-;
InChIKeyMNGUVFBJZBAREH-KSRZDLMISA-N
MW195.33 g/mol
LogP3.80
Rot. Bonds1

About (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane

(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane (PubChem CID 163393108) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane.

Molecular Properties

Compound Name(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane
PubChem CID163393108
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane
SMILESC=C/C=C1/C(C)=CS/C1=N\C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-8-7(2)6-11-9(8)10-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b8-5-,10-9-;
InChIKeyMNGUVFBJZBAREH-KSRZDLMISA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
3-ethylidene-N-methylthiophen-2-imine
CID 123936114
ethyl (2E,4Z)-2-methyl-N-propylhepta-2,4,6-trienimidothioate
CID 134550807
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157875
ethane;ethene;[(3Z)-6-methylhepta-3,5-dienyl] N-methylmethanimidothioate
CID 143483188
ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
CID 143712501
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane?
The IUPAC name of (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane (CID 163393108) is (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane.
What is the SMILES notation for (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane?
The canonical SMILES for (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane is C=C/C=C1/C(C)=CS/C1=N\C.CC.
What is the InChIKey of (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane?
The InChIKey is MNGUVFBJZBAREH-KSRZDLMISA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-5-8-7(2)6-11-9(8)10-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b8-5-,10-9-;.
What are the key properties of (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane?
(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane has a molecular weight of 195.33 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane is sourced from PubChem (CID 163393108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).